(2S,4S)-1-Boc-2-cyano-4-fluoropyrrolidine - CAS 426844-76-0
Catalog: |
BB025202 |
Product Name: |
(2S,4S)-1-Boc-2-cyano-4-fluoropyrrolidine |
CAS: |
426844-76-0 |
Synonyms: |
(2S,4S)-2-cyano-4-fluoro-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl (2S,4S)-2-cyano-4-fluoropyrrolidine-1-carboxylate |
IUPAC Name: | tert-butyl (2S,4S)-2-cyano-4-fluoropyrrolidine-1-carboxylate |
Description: | (2S,4S)-1-Boc-2-cyano-4-fluoropyrrolidine (CAS# 426844-76-0) is a useful research chemical. |
Molecular Weight: | 214.24 |
Molecular Formula: | C10H15FN2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(CC1C#N)F |
InChI: | InChI=1S/C10H15FN2O2/c1-10(2,3)15-9(14)13-6-7(11)4-8(13)5-12/h7-8H,4,6H2,1-3H3/t7-,8-/m0/s1 |
InChI Key: | QAKRZINKSNCLEV-YUMQZZPRSA-N |
Boiling Point: | 316.7 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
Appearance: | Solid |
MDL: | MFCD09263600 |
LogP: | 1.79538 |
Publication Number | Title | Priority Date |
US-2010174096-A1 | Methods for Production of Optically Active Fluoropyrrolidine Derivatives | 20090105 |
EP-2246347-A1 | Dicycloazaalkane derivates, preparation processes and medical uses thereof | 20080123 |
EP-2246347-B1 | Dicycloazaalkane derivates, preparation processes and medical uses thereof | 20080123 |
JP-2011510026-A | Derivatives of azabicyclooctane, process for producing the same and use thereof as inhibitors of dipeptidyl peptidase IV | 20080123 |
JP-5438028-B2 | Derivatives of azabicyclooctane, process for producing the same and use thereof as inhibitors of dipeptidyl peptidase IV | 20080123 |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.11175589 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.11175589 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 53.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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